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TG2-179-1

CAT: 0804-HY-158774-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-158774-01Size:1 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
TG2-179-1 is a potent BAP1 inhibitor. TG2-179-1 inhibits the domain-containing deubiquitinase (DUB) activity of BAP1 by covalently binding to its active site. TG2-179-1 exerts cytotoxic activity, leading to defective replication and increased apoptosis. TG2-179-1 has the potential for colon cancer research[1].
CAS Number
1135023-19-6
UNSPSC
12352005
Target
Apoptosis
Type
Reference compound
Related Pathways
Apoptosis
Applications
Cancer-programmed cell death
Field of Research
Cancer
Assay Protocol
https://www.medchemexpress.com/tg2-179-1.html
Purity
99.67
Solubility
DMF : 2 mg/mL (ultrasonic; warming) |DMSO : 50 mg/mL (ultrasonic)
Smiles
N#CC1=C(NC(CSC2=NN=C(C3=CC=C(Cl)C=C3)O2)=O)SC(C)=C1C4=CC=C(C=C4)F
Molecular Formula
C22H14ClFN4O2S2
Molecular Weight
484.95
References & Citations
[1]Minhwa Kang, et al. Targeting BAP1 with small compound inhibitor for colon cancer treatment. Sci Rep. 2023 Feb 8;13 (1) :2264.
Shipping Conditions
Blue Ice
Storage Conditions
-20°C, 3 years (Powder)
Scientific Category
Reference compound1
Clinical Information
No Development Reported

Chemical Information

2-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-[3-cyano-4-(4-fluorophenyl)-5-methylthiophen-2-yl]acetamide
CAS Number1135023-19-6
PubChem CID24178338
IUPAC Name2-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-[3-cyano-4-(4-fluorophenyl)-5-methylthiophen-2-yl]acetamide
Molecular FormulaC22H14ClFN4O2S2
Molecular Weight485.0
XLogP6.2
Topological Polar Surface Area145
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count8
Rotatable Bond Count6
Heavy Atom Count32
Formal Charge0
Complexity697
SMILES
CC1=C(C(=C(S1)NC(=O)CSC2=NN=C(O2)C3=CC=C(C=C3)Cl)C#N)C4=CC=C(C=C4)F
InChI
InChI=1S/C22H14ClFN4O2S2/c1-12-19(13-4-8-16(24)9-5-13)17(10-25)21(32-12)26-18(29)11-31-22-28-27-20(30-22)14-2-6-15(23)7-3-14/h2-9H,11H2,1H3,(H,26,29)
InChIKey
VUXYGZVVYUTNOK-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-[3-cyano-4-(4-fluorophenyl)-5-methylthiophen-2-yl]acetamide
CAS: 1135023-19-6
CID: 24178338
Formula: C22H14ClFN4O2S2
MW: 485.0
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight485.0
XLogP36.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count8
Rotatable Bond Count6
Exact Mass484.0230739
Monoisotopic Mass484.0230739
Topological Polar Surface Area145 Ų
Heavy Atom Count32
Formal Charge0
Complexity697
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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